2-[1-(1,3-Benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-4-prop-2-enylcyclohexa-2,5-dien-1-one
| Internal ID | df3edf50-968c-420b-b82f-58eda4e0d082 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-4-prop-2-enylcyclohexa-2,5-dien-1-one |
| SMILES (Canonical) | CC(CC1=CC2=C(C=C1)OCO2)C3=CC(C(=CC3=O)OC)(CC=C)OC |
| SMILES (Isomeric) | CC(CC1=CC2=C(C=C1)OCO2)C3=CC(C(=CC3=O)OC)(CC=C)OC |
| InChI | InChI=1S/C21H24O5/c1-5-8-21(24-4)12-16(17(22)11-20(21)23-3)14(2)9-15-6-7-18-19(10-15)26-13-25-18/h5-7,10-12,14H,1,8-9,13H2,2-4H3 |
| InChI Key | VOOSUHYFMLVXPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2-[1-(1,3-Benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-4-prop-2-enylcyclohexa-2,5-dien-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-1-13-benzodioxol-5-ylpropan-2-yl-45-dimethoxy-4-prop-2-enylcyclohexa-25-dien-1-one.jpg "2D Structure of 2-[1-(1,3-Benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-4-prop-2-enylcyclohexa-2,5-dien-1-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.72% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.46% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.92% | 85.30% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.74% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.84% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.38% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.55% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.20% | 95.89% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.97% | 80.96% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.36% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.94% | 94.73% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.90% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.42% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 86.21% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.89% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.76% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.67% | 94.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.29% | 95.71% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.63% | 92.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Piper hymenophyllum |
| PubChem | 21729452 |
| LOTUS | LTS0171755 |
| wikiData | Q105290313 |